N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3,4,5-trimethoxy-benzamide hydrate

Systemtic Name: N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3,4,5-trimethoxy-benzamide hydrate Openeye Name: N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]-3,4,5-trimethoxy-benzamide hydrate CAS Name: N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]-3,4,5-trimethoxybenzamide hydrate IUPAC Name: N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide hydrate Traditional Name: N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidyl]-3,4,5-trimethoxy-benzamide hydrate Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43.O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43.O

InChI

InChI=1S/C25H31N3O4.H2O/c1-30-22-14-18(15-23(31-2)24(22)32-3)25(29)27-19-9-12-28(13-10-19)11-8-17-16-26-21-7-5-4-6-20(17)21;/h4-7,14-16,19,26H,8-13H2,1-3H3,(H,27,29);1H2